N-(4-oxo-5-methyl-2-thiazolin-2-yl)-N'-p-chlorophenylthioethylidenehydrazine

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: N-(4-oxo-5-methyl-2-thiazolin-2-yl)-N'-p-chlorophenylthioethylidenehydrazine
• 英文别名: (2E)-2-[(E)-2-(4-chlorophenyl)sulfanylethylidenehydrazinylidene]-5-methyl-1,3-thiazolidin-4-one
• 化学式: C₁₂H₁₂ClN₃OS₂
• 分子量: 313.832
• InChiKey: ZKHDBSVVCBVHBJ-MKMNVTDBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (4-氯-苯基硫烷基)-乙醛 在 sodium acetate 、 溶剂黄146 作用下， 生成 N-(4-oxo-5-methyl-2-thiazolin-2-yl)-N'-p-chlorophenylthioethylidenehydrazine
  参考文献：
  名称：

  Synthesis, docking, and in vitro activity of thiosemicarbazones, aminoacyl-thiosemicarbazides and acyl-thiazolidones against Trypanosoma cruzi

  摘要：

  A novel series of thiosemicarbazone and aminoacyl-thiazolidones derivatives were synthesized. Their structure Suggests that these compounds could have anti-Trypanosoma cruzi activity. Biological evaluation indicates that some of these compounds are able to inhibit the growth of T cruzi in concentrations non-cytotoxic to mammalian cells. Docking studies were carried out in order to investigate the binding pattern of these compounds for the T cruzi cruzain (TCC) protein, and these showed a significant correlation with experimental data. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.01.034

文献信息

• Synthesis, docking, and in vitro activity of thiosemicarbazones, aminoacyl-thiosemicarbazides and acyl-thiazolidones against Trypanosoma cruzi
  作者：Ana Cristina Lima Leite、Renata Souza de Lima、Diogo Rodrigo de M. Moreira、Marcos Veríssimo de O. Cardoso、Ana Carolina Gouveia de Brito、Luciene Maria Farias dos Santos、Marcelo Zaldini Hernandes、Alice Costa Kiperstok、Ricardo Santana de Lima、Milena B.P. Soares

  DOI：10.1016/j.bmc.2006.01.034

  日期：2006.6

  A novel series of thiosemicarbazone and aminoacyl-thiazolidones derivatives were synthesized. Their structure Suggests that these compounds could have anti-Trypanosoma cruzi activity. Biological evaluation indicates that some of these compounds are able to inhibit the growth of T cruzi in concentrations non-cytotoxic to mammalian cells. Docking studies were carried out in order to investigate the binding pattern of these compounds for the T cruzi cruzain (TCC) protein, and these showed a significant correlation with experimental data. (c) 2006 Elsevier Ltd. All rights reserved.